Information card for entry 7131588

Structure parameters

• Formula: C25 H24 N2 O4
• Calculated formula: C25 H24 N2 O4
• SMILES: O=C(Nc1cccc2c1nccc2)c1c2c(ccc1/C(=C\CO)C(=O)OC)CCCC2
• Title of publication: A three component 1,3-difunctionalization of vinyl diazo esters enabled by a cobalt catalyzed C-H activation/carbene migratory insertion.
• Authors of publication: Khot, Nandkishor Prakash; Nagtilak, Prajyot Jayadev; Deo, Nitish Kumar; Kapur, Manmohan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 40
• Pages of publication: 6076 - 6079
• a: 8.8175 ± 0.0006 Å
• b: 10.9007 ± 0.0008 Å
• c: 11.0914 ± 0.0009 Å
• α: 91.044 ± 0.003°
• β: 101.16 ± 0.002°
• γ: 98.536 ± 0.002°
• Cell volume: 1033.11 ± 0.13 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0419
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No